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  1. Third-Parties
  2. MatprojStructure
  3. mp-557407

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-557407
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['K', 'Na', 'U', 'C', 'O']
  • Chemical System: C-K-Na-O-U
  • Density: 3.0604262534050917
  • Atomic Density: 0.05931777996750517
  • Unit Cell Volume: 640.6173666785364
  • Molar Volume: 10.152336724838632
  • Full Formula: K6 Na2 U2 C6 O22
  • Reduced Formula: K3NaUC3O11
  • Formula Anonymous: ABC3D3E11
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -289.5315753
  • Final energy per atom: -7.619251981578947
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.